UCSF

ZINC68240369

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 7.4 -48.89 1 6 1 62 368.523 7
Mid Mid (pH 6-8) 1.74 5.19 -11.26 0 6 0 61 367.515 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )